Chemical ID: 3963950

C1C(CC1(C(=O)O)N)C(=O)O
Chemical ID:
3963950
Name [?]:
1-aminocyclobutane-1,3-dicarboxylic acid
SMILES [?]:
C1C(CC1(C(=O)O)N)C(=O)O
InChi [?]:
InChI=1/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,2,9,5,4,8,10,11,6,7/E:(1,2)(8,9)(10,11)/rA:11nCCCCCOONCOO/rB:s1;s2;s1s3;s4;d5;s5;s4;s2;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9NO4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.20405
Area:310.371
Solvation:-2.55523
Coulombic:-64.2931
Bond Count [?]
All:11
Single:9
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:159.14
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-3.64
LogP (Chemaxon):-3.4

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